C047-1133 Screening compound: 10-[(4-chlorophenyl)methyl]-9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-1133 Screening compound: 10-[(4-chlorophenyl)methyl]-9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-1133 Screening compound: 10-[(4-chlorophenyl)methyl]-9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C047-1133
10-[(4-chlorophenyl)methyl]-9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C047-1133

Molecular Formula

C30H30Cl3NO2 (C30 H30 Cl3 NO2)

Compound Name

10-[(4-chlorophenyl)methyl]-9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

10-[(4-chlorophenyl)methyl]-9-(24-dichlorophenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(Cc(cc2)ccc2Cl)C(CC(C)(C)C2)=C(C3c(ccc(Cl)c4)c4Cl)C2=O)=C3C1=O

InChI

InChI=1S/C30H30Cl3NO2/c1-29(2)12-22-27(24(35)14-29)26(20-10-9-19(32)11-21(20)33)28-23(13-30(3,4)15-25(28)36)34(22)16-17-5-7-18(31)8-6-17/h5-11,26H,12-16H2,1-4H3

InChI Key

JQVDTTKGKRPNBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.939

Distribution Coefficient, logD

7.939

Water Solubility, LogSw

-6.51

Polar Surface Area

28.714

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C047-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C047-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-1133
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C047-1133 available by request